multiex: Data inspired by GC mass spectrometry experiments

In ALS: Multivariate Curve Resolution Alternating Least Squares (MCR-ALS)

Data inspired by GC mass spectrometry experiments

Description

Data inspired by GC mass spectrometry experiments.

Usage

data("multiex")

Format

d1 and d2 are matrices of dimension 80 by 400 representing time and m/z resolved data.

x and x2 represent the 80 times and 400 m/z values represented by the data, respectively.

Cstart1 and Cstart2 are matrices of dimension 80 by 2, representing starting values for elution profiles.

S represents mass spectra known to be represented in the data, as a 400 by 2 matrix.

Examples

data("multiex")
## mass spectra in the data 
plotS(S,x2)

## starting values for elution profiles
matplot(x,Cstart1,type="l")
matplot(x,Cstart2,type="l",add=TRUE)

ALS documentation built on Aug. 25, 2022, 9:09 a.m.